10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

C26H34N6S — CID 17393788

IUPAC10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
SMILESCC1CCN(Cc2nc(N3CCN(Cc4cccnc4)CC3)c3c4c(sc3n2)CCC4)CC1
InChIInChI=1S/C26H34N6S/c1-19-7-10-30(11-8-19)18-23-28-25(24-21-5-2-6-22(21)33-26(24)29-23)32-14-12-31(13-15-32)17-20-4-3-9-27-16-20/h3-4,9,16,19H,2,5-8,10-15,17-18H2,1H3
InChIKeyQCNFZGJOXKPINW-UHFFFAOYSA-N
MW462.67 g/mol
LogP4.13
Rot. Bonds5

About 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (PubChem CID 17393788) has the molecular formula C26H34N6S and a molecular weight of 462.67 g/mol. Its IUPAC name is 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.

Molecular Properties

Compound Name10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
PubChem CID17393788
Molecular FormulaC26H34N6S
Molecular Weight462.67 g/mol
Exact Mass462.26
IUPAC Name10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
SMILESCC1CCN(Cc2nc(N3CCN(Cc4cccnc4)CC3)c3c4c(sc3n2)CCC4)CC1
InChIInChI=1S/C26H34N6S/c1-19-7-10-30(11-8-19)18-23-28-25(24-21-5-2-6-22(21)33-26(24)29-23)32-14-12-31(13-15-32)17-20-4-3-9-27-16-20/h3-4,9,16,19H,2,5-8,10-15,17-18H2,1H3
InChIKeyQCNFZGJOXKPINW-UHFFFAOYSA-N
XLogP4.13
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.67
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene with MolForge

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Related Compounds

10-[(4-methylpiperidin-1-yl)methyl]-12-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 25353726
10-benzyl-12-(4-benzylpiperazin-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 46722373
N-ethyl-10-[(4-methylpiperidin-1-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9280895
12-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 35477883
4-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]morpholine
CID 2686442
(2R)-1-[10-[(4-methylpiperidin-1-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]pyrrolidine-2-carboxamide
CID 9113279
5-methyl-3-[[4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 55393748
4-[[12-[4-(3-methoxyphenyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl]methyl]morpholine
CID 4794885
10-[(4-methylpiperidin-1-yl)methyl]-12-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 4968267
methyl 2-[12-(4-methylpiperidin-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl]acetate
CID 70846414
2-benzyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 46721377
10-ethyl-12-(4-pyridin-2-ylpiperazin-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 50945640

Frequently Asked Questions

What is the IUPAC name of 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The IUPAC name of 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (CID 17393788) is 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.
What is the SMILES notation for 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The canonical SMILES for 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is CC1CCN(Cc2nc(N3CCN(Cc4cccnc4)CC3)c3c4c(sc3n2)CCC4)CC1.
What is the InChIKey of 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The InChIKey is QCNFZGJOXKPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6S/c1-19-7-10-30(11-8-19)18-23-28-25(24-21-5-2-6-22(21)33-26(24)29-23)32-14-12-31(13-15-32)17-20-4-3-9-27-16-20/h3-4,9,16,19H,2,5-8,10-15,17-18H2,1H3.
What are the key properties of 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene has a molecular weight of 462.67 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methylpiperidin-1-yl)methyl]-12-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is sourced from PubChem (CID 17393788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).